SCHEMBL8515567

SCHEMBL8515567

Cc1nn(Cc2ccc(NC(=O)C=Cc3ccccc3)cc2)c(C)c1CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8515564 1.00 PTGDR2 (1.00) PTGDR2
SCHEMBL8513706 0.92 PTGDR2 (1.00) PTGDR2
SCHEMBL10142386 0.92 PTGDR2 (1.00) PTGDR2
SCHEMBL10142920 0.87 PTGDR2 (1.00) PTGDR2
SCHEMBL10142969 0.85 PTGDR2 (1.00) PTGDR2
SCHEMBL8513528 0.82 PTGDR2 (1.00) PTGDR2
SCHEMBL509015 0.80 PTGDR2 (0.81) PTGDR2
SCHEMBL10142366 0.79 PTGDR2 (1.00) PTGDR2
SCHEMBL508628 0.79 PTGDR2 (1.00) PTGDR2
SCHEMBL18403818 0.79 PTGDR2 (0.72) PTGDR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069175-A1 NEW PYRAZOLE DERIVATIVES HAVING CRTH2 ANTAGONISTIC BEHAVIOUR ALMIRALL, S.A. (ES) 2012-05-31 WO disclosed